Geometry & MOs

Info

ID:	321479
PubChem CID:	126666119
Reduced:	BrClO2N3H11C18 (1)
Stoich.:	ABC2D3E11F18 (1)
Weight, g/mol:	215.074642
ΔH_f, kcal/mol:	55.09
Dipole, Da:	1.82
IP(EA), eV:	-9.6(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-2-fluorophenyl)benzaldehyde

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NOC3=C2C(=O)N(N=C3Br)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations